4-[2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxidanylidene-chromen-7-yl]oxyethanoylamino]butanoic acid

Systemtic Name: 4-[2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxidanylidene-chromen-7-yl]oxyethanoylamino]butanoic acid Openeye Name: 4-[[2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-chromen-7-yl]oxyacetyl]amino]butanoic acid CAS Name: 4-[[2-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-1-benzopyran-7-yl]oxy]-1-oxoethyl]amino]butanoic acid IUPAC Name: 4-[[2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxochromen-7-yl]oxyacetyl]amino]butanoic acid Traditional Name: 4-[[2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-keto-2-methyl-chromen-7-yl]oxyacetyl]amino]butyric acid Formula: C25H25NO8 MolecularWeight: 467.4679

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OCC(=O)NCCCC(=O)O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OCC(=O)NCCCC(=O)O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C25H25NO8/c1-15-24(16-5-8-19-21(12-16)32-11-3-10-31-19)25(30)18-7-6-17(13-20(18)34-15)33-14-22(27)26-9-2-4-23(28)29/h5-8,12-13H,2-4,9-11,14H2,1H3,(H,26,27)(H,28,29)